HRID97394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

结构：COC(=O)C(C)(C)c1cnc2[nH]c(-c3cc(C)cc(C)c3)c(C(C)COCc3ccccc3)c2c1

HCID57284300

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2[nH]c3ncc(C(C)(C)C(=O)O)cc3c2C(C)COCc2ccccc2)c1

HCID21998693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f941bb3007c643dd82d72350b1921ac2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]([CH3:11])[c:12]1[c:13](-[c:28]2[cH:29][c:30]([CH3:35])[cH:31][c:32]([CH3:34])[cH:33]2)[nH:14][c:15]2[n:16][cH:17][c:18]([C:21]([C:22](=[O:23])[O:24][CH3:25])([CH3:26])[CH3:27])[cH:19][c:20]12.[CH3:39][OH:40].[ClH:38].[K+:37].[OH-:36]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]([CH3:11])[c:12]1[c:13](-[c:28]2[cH:29][c:30]([CH3:35])[cH:31][c:32]([CH3:34])[cH:33]2)[nH:14][c:15]2[n:16][cH:17][c:18]([C:21]([C:22](=[O:23])[OH:24])([CH3:26])[CH3:27])[cH:19][c:20]12